N'-(2-bicyclo[2.2.1]heptanylmethyl)-N'-propylpropane-1,3-diamine

C14H28N2 — CID 79554083

IUPACN'-(2-bicyclo[2.2.1]heptanylmethyl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CCCN)CC1CC2CCC1C2
InChIInChI=1S/C14H28N2/c1-2-7-16(8-3-6-15)11-14-10-12-4-5-13(14)9-12/h12-14H,2-11,15H2,1H3
InChIKeyOJLOYCVPEMKXPF-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.48
Rot. Bonds7

About N'-(2-bicyclo[2.2.1]heptanylmethyl)-N'-propylpropane-1,3-diamine

N'-(2-bicyclo[2.2.1]heptanylmethyl)-N'-propylpropane-1,3-diamine (PubChem CID 79554083) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N'-(2-bicyclo[2.2.1]heptanylmethyl)-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-bicyclo[2.2.1]heptanylmethyl)-N'-propylpropane-1,3-diamine
PubChem CID79554083
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN'-(2-bicyclo[2.2.1]heptanylmethyl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CCCN)CC1CC2CCC1C2
InChIInChI=1S/C14H28N2/c1-2-7-16(8-3-6-15)11-14-10-12-4-5-13(14)9-12/h12-14H,2-11,15H2,1H3
InChIKeyOJLOYCVPEMKXPF-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-N'-propylethane-1,2-diamine
CID 79551627
N-(3-aminopropyl)-2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-N-methylacetamide
CID 55233822
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methyl-2-N-propylpropane-1,2-diamine
CID 79555098
N-(3-aminopropyl)-N-propylbicyclo[2.2.1]heptane-2-carboxamide
CID 61363750
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N',2-dimethylpentane-1,5-diamine
CID 82684236
2-[2-bicyclo[2.2.1]heptanylmethyl(ethyl)amino]ethanethioamide
CID 79552563
(1S,2S,4S)-2-butylbicyclo[2.2.1]heptane
CID 177495846
2-amino-5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-ethylpentanenitrile
CID 106803671
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,2-dimethylpentane-1,2-diamine
CID 63683439
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-ethyl-2-methylpropane-1,2-diamine
CID 79555012
(2S)-2-propylbicyclo[2.2.1]heptane
CID 143719109
N'-ethyl-N'-propylpropane-1,3-diamine
CID 43137206

Frequently Asked Questions

What is the IUPAC name of N'-(2-bicyclo[2.2.1]heptanylmethyl)-N'-propylpropane-1,3-diamine?
The IUPAC name of N'-(2-bicyclo[2.2.1]heptanylmethyl)-N'-propylpropane-1,3-diamine (CID 79554083) is N'-(2-bicyclo[2.2.1]heptanylmethyl)-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N'-(2-bicyclo[2.2.1]heptanylmethyl)-N'-propylpropane-1,3-diamine?
The canonical SMILES for N'-(2-bicyclo[2.2.1]heptanylmethyl)-N'-propylpropane-1,3-diamine is CCCN(CCCN)CC1CC2CCC1C2.
What is the InChIKey of N'-(2-bicyclo[2.2.1]heptanylmethyl)-N'-propylpropane-1,3-diamine?
The InChIKey is OJLOYCVPEMKXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-2-7-16(8-3-6-15)11-14-10-12-4-5-13(14)9-12/h12-14H,2-11,15H2,1H3.
What are the key properties of N'-(2-bicyclo[2.2.1]heptanylmethyl)-N'-propylpropane-1,3-diamine?
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N'-propylpropane-1,3-diamine has a molecular weight of 224.39 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bicyclo[2.2.1]heptanylmethyl)-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 79554083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).